Bioactive Compound Details

BioIDbio578
NameTRANSTAGANOLIDE C
ChEMBL IDCHEMBL486793
Molecular FormulaC20H24O5
Molecular Weight344.41
Molecular Weight (Monoisotopic)344.1624
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTranstaganolide C
SmilesC=C[C@]1(C)CC[C@H]2C(C)(C)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O
InchiInChI=1S/C20H24O5/c1-6-19(4)8-7-13-18(2,3)12-9-11-10-14(23-5)24-17(22)15(19)20(11,13)25-16(12)21/h6,9-10,12-13,15H,1,7-8H2,2-5H3/t12-,13-,15-,19+,20+/m0/s1
Inchi KeyWEROHVUUBZUWOZ-MQEXTWSESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.19
Records Key['2b']
Records Name['transtaganolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure